Reaction Details |
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Target | Kallikrein-1 |
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Ligand | BDBM408694 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibitory Activity In Vitro |
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IC50 | >10000±n/a nM |
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Citation | Davie, RL; Edwards, HJ; Evans, DM; Hodgson, ST N-((het)arylmethyl)-heteroaryl-carboxamides compounds as kallikrein inhibitors US Patent US11198691 Publication Date 12/14/2021 |
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More Info.: | Get all data from this article, Assay Method |
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Kallikrein-1 |
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Name: | Kallikrein-1 |
Synonyms: | KLK1 | KLK1_HUMAN | Kallikrein 1 | Kallikrein-1 | Kidney/pancreas/salivary gland kallikrein | Tissue kallikrein |
Type: | Enzyme |
Mol. Mass.: | 28874.69 |
Organism: | Homo sapiens (Human) |
Description: | P06870 |
Residue: | 262 |
Sequence: | MWFLVLCLALSLGGTGAAPPIQSRIVGGWECEQHSQPWQAALYHFSTFQCGGILVHRQWV
LTAAHCISDNYQLWLGRHNLFDDENTAQFVHVSESFPHPGFNMSLLENHTRQADEDYSHD
LMLLRLTEPADTITDAVKVVELPTEEPEVGSTCLASGWGSIEPENFSFPDDLQCVDLKIL
PNDECKKAHVQKVTDFMLCVGHLEGGKDTCVGDSGGPLMCDGVLQGVTSWGYVPCGTPNK
PSVAVRVLSYVKWIEDTIAENS
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BDBM408694 |
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n/a |
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Name | BDBM408694 |
Synonyms: | N-[(3-chloro-2,6-difluorophenyl)methyl]-1-({4-[(4-methylpyrazol-1- yl)methyl]phenyl}methyl)-3-(trifluoromethyl)pyrazole-4-carboxamide | US10364238, Example 18 | US11001578, Example 18 | US11084809, Example 18 | US11198691, Example 18 |
Type | Small organic molecule |
Emp. Form. | C24H19ClF5N5O |
Mol. Mass. | 523.886 |
SMILES | Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(F)ccc(Cl)c4F)c(n3)C(F)(F)F)cc2)c1 |
Structure |
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